1TVV
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Experimental procedure
| Detector technology | IMAGE PLATE |
| Collection date | 1994-08-19 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 78.700, 78.700, 230.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.300 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.28300 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.200 * |
| Data reduction software | R-AXIS (II) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.300 |
| Rmerge | 0.084 |
| Total number of observations | 52810 * |
| Number of reflections | 18367 |
| Completeness [%] | 93.0 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.5-6.0 (mg/ml) | |
| 2 | 1 | drop | dUMP | 2-20 (mM) | or dCMP |
| 3 | 1 | drop | potassium phosphate | 40 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | ammonium sulfate | 1-2 (%sat) | |
| 6 | 1 | drop | CB3717 | 20 (mM) | |
| 7 | 1 | reservoir | phosphate | ||
| 8 | 1 | reservoir | dithiothreitol | ||
| 9 | 1 | reservoir | EDTA |
